(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide

C17H17ClFNO4 — CID 7713955

IUPAC(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
SMILESCOc1cc(OC)cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H17ClFNO4/c1-10(17(21)20-16-5-4-11(19)6-15(16)18)24-14-8-12(22-2)7-13(9-14)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeyNSVMJASKUOPKPB-JTQLQIEISA-N
MW353.78 g/mol
LogP3.90
Rot. Bonds6

About (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide

(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide (PubChem CID 7713955) has the molecular formula C17H17ClFNO4 and a molecular weight of 353.78 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
PubChem CID7713955
Molecular FormulaC17H17ClFNO4
Molecular Weight353.78 g/mol
Exact Mass353.08
IUPAC Name(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
SMILESCOc1cc(OC)cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H17ClFNO4/c1-10(17(21)20-16-5-4-11(19)6-15(16)18)24-14-8-12(22-2)7-13(9-14)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m0/s1
InChIKeyNSVMJASKUOPKPB-JTQLQIEISA-N
XLogP3.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834391
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
(2S)-2-(2-bromophenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7707079
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 7467684
N-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203915
2-(2-chloro-4-fluorophenoxy)-N-(2,4-dichlorophenyl)propanamide
CID 112778697
(2R)-2-(4-fluorophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 51642379
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2,4-dimethoxybenzoate
CID 18777215
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenoxy)propanoate
CID 55316500
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2-formylphenoxy)propanamide
CID 7762785

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide (CID 7713955) is (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide is COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)c1.
What is the InChIKey of (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide?
The InChIKey is NSVMJASKUOPKPB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H17ClFNO4/c1-10(17(21)20-16-5-4-11(19)6-15(16)18)24-14-8-12(22-2)7-13(9-14)23-3/h4-10H,1-3H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide?
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide has a molecular weight of 353.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide is sourced from PubChem (CID 7713955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).